Publikationen H.B. Bürgi - UZH00000000-01c7-61d3-0000-00004c… · 1 Publikationen H.B. Bürgi ....

1Publikationen H.B. Bürgi

1. Lattice parameters and space groups of some aromatic Schiff bases.

H.B. Bürgi, J.D. Dunitz, C. Züst.

Acta Cryst., 24B, 463-464, 1968.

2. Die Strukturen der mittleren Ringverbindungen. XVI. Cyclooctan-cis-1,2-dicarbonsäure.

H.B. Bürgi, J.D. Dunitz.

Helv. Chim. Acta, 51, 1514-1526, 1968.

3. Molecular Conformation of Benzylideneanilines; Relation to Electronic Structure and

Spectra.


Chem. Comm., 472-473, 1969.

4. Crystal and Molecular Structures of Benzylideneaniline, Benzylideneaniline-p-carboxylic

acid and p-Methylbenzylidene-p-nitriloaniline.


Helv. Chim. Acta, 52, 1747-1764, 1970.

5. Multiple Solutions of Crystal Structures by Direct Methods.


Acta Cryst., 27A, 117-119, 1971.

6. Molecular Structure of Nitrogen Trichloride as Determined by Electron Diffraction.

H.B. Bürgi, D. Stedman, L.S. Bartell.

J. Mol. Structure, 10, 31-38, 1971.

7. Molecular Conformation of Benzylideneanilines.


Helv. Chim. Acta, 54, 1255-1260, 1971.

8. Structure and spectra of murexide and of alkali purpurates: Crystal structure of lithium

purpurate dihydrate.

H.B. Bürgi, S. Djuric, M. Dobler, J.D. Dunitz.

2 Helv. Chim. Acta, 55, 1771-1782, 1972.

9. Structure of Tri-tert-butylmethane. I. An Electron Diffraction Study.

H.B. Bürgi, L.S. Bartell.

J. Am. Chem. Soc., 94, 5236-5238, 1972.

10. Structure of Tri-tert-butylmethane. II. Inferences Combining Electron Diffraction,

Spectroscopy, and Molecular Mechanics.

L.S. Bartell, H.B. Bürgi.

J. Am. Chem. Soc., 94, 5239-5246, 1972.

11. Geometrical reaction coordinates. II. Nucleophilic addition to a carbonyl group.

H.B. Bürgi, J.D. Dunitz, E. Shefter.

J. Am. Chem. Soc., 95, 5065-5067, 1973.

12. Pharmacological Implications of the Conformation of the Methadone Base.


Nature, 244, 186-188, 1973.

13. 6-Dimethylamino-4.4-diphenyl-3-heptanone (Methadone), C21H27NO.


Cryst. Struct. Comm., 2, 667-672, 1973.

14. Chemical reaction coordinates from crystal structure data. I.

H.B. Bürgi.

Inorg. Chem., 12, 2321-2325, 1973.

15. Chemical reaction paths. III. An ab initio study of nucleophilic addition to a carbonyl

group.

H.B. Bürgi, J.M. Lehn, G. Wipff.

J. Am. Chem. Soc., 96, 1956-1957, 1974.

16. Stereoelectronic Properties of Tetrahedral Species derived from Carbonyl Groups. Ab

initio study of the Hydroxymethanes.

J.M. Lehn, G. Wipff, H.B. Bürgi.

Helv. Chim. Acta, 57, 493-496, 1974.

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17. Chemical reaction paths. IV. Aspects of O...C=O interactions in crystals.


Acta Cryst., B30, 1517-1527, 1974.

18. Stereochemistry of Reaction Paths at Carbonyl Centres.

H.B. Bürgi, J.D. Dunitz, J.M. Lehn, G. Wipff.

Tetrahedron, 30, 1563-1572, 1974.

19. Stereochemistry of Polynuclear Cadmium(II) Thioglycolates: Crystal Structure of

Cadmium(II) Bisthioglycolate.

H.B. Bürgi.

Helv. Chim. Acta, 57, 513-519, 1974.

20. Chemical Reaction Path V. The SN1 reaction.

P. Murray-Rust, H.B. Bürgi, J.D. Dunitz.

J. Am. Chem. Soc., 97, 921-922, 1975.

21. Zur Beziehung zwischen Struktur und Energie: Bestimmung der Stereochemie von

Reaktionswegen aus Kristallstrukturdaten.

H.B. Bürgi.

Angew. Chemie, 87, 461-475, 1975.

22. Stereochemistry of Reaction Paths as Determined from Crystal Structure Data – A

Relationship between Structure and Energy.

H.B. Bürgi.

Angew. Chemie, Internat. Edit., 14, 460-473, 1975.

23. Non-bonded Interactions in Organic Molecules.

J.D. Dunitz, H.B. Bürgi.

International Review of Science; Chemical Crystallography, Physical Chemistry Series

two, Vol. 71 (J.M. Robertson, ed.) Butterworth, 81-120, 1975.

24. Out-of-plane deformations of cyclic polyenes. A force-field interpretation of structural

data.

H.B. Bürgi, E. Shefter.

4 Tetrahedron, 31, 2976-2981, 1975.

25. Chemical Reaction Paths⎯VI. A pericyclic ring closure.

H.B. Bürgi, E. Shefter, J.D. Dunitz.

Tetrahedron, 31, 3089-3092, 1975.

26. Coordination Geometries and Bond-Types in Three-Coordinate Phosphine Complexes

of Copper(I), Silver(I) and Gold(I).

M. Barrow, H.B. Bürgi, D.K. Johnson, L.M. Venanzi.

J. Am. Chem. Soc., 98, 2356-2357, 1976.

27. Stereochemistry of Polynuclear Cadmium (II) thioglycolates: Crystal Structure of

[I Cd8(SCH2CH2OH)12]3+ 3 I- . H2O.

H.B. Bürgi, H. Gehrer, P. Strickler, F.K. Winkler.

Helv. Chim. Acta, 59, 2558-2565, 1976.

28. Enzymatic Catalysis. A Theoretically Derived Transition State for Coenzyme B12-

Catalyzed Reactions.

L. Salem, O. Eisenstein, N.T. Anh, H.B. Bürgi, A. Devaquet, G. Segal, A. Veillard.

N.J. Chimie, 1, 335-348, 1977.

29. Distortions of MX4 Molecules from Td -Symmetry. I. Kernel, Co-kernel and Averaged

Configurations.


Acta Cryst., B34, 1787-1793, 1978.

30. Distortions of MX4 Molecules from TdSymmetry. II. Analysis of PO4, SO4 and AlCl4

Species.


Acta Cryst., B34, 1793-1803, 1978.

31. Counterintuitive Orbital Mixing in Semiempirical and ab Initio Molecular Orbital

Calculations.

J.H. Ammeter, H.B. Bürgi, J.C. Thibeault, R. Hoffmann.

J. Am. Chem. Soc., 100, 3686-3692, 1978.

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32. Static and Dynamic Jahn-Teller Distortions in CuN6 Complexes. Crystal Structures and

EPR Spectra of Complexes between Copper(II) and Rigid, Tridentate cis,cis-1,3,5-

Triaminocyclohexane (tach): Cu(tach)2(ClO4)2, Cu(tach)2(NO3)2. Crystal Structure of

Ni(tach)2(NO3)2.

J.H. Ammeter, H.B. Bürgi, E. Gamp, V. Meyer-Sandrin, W.P. Jensen.

Inorg. Chem., 18, 733-750, 1979.

33. Description of Molecular Distortions in Terms of Symmetry Coordinates.


Acta Cryst., A35, 703-713, 1979.

34. Space Group-Like Symmetries in the Conformational Analysis of Flexible Molecules.

H.B. Bürgi.

Match, 9, 13-14, 1980.

35. Structures of Some HgX2(PPh3)2 Complexes As Studied by 31P NMR, X-ray, and

Extended-Hückel Molecular Orbital Methods.

H.B. Bürgi, R.W. Kunz, P.S. Pregosin.

Inorg. Chem., 19, 3707-3712, 1980.

36. Preparation, Characterization, and Crystal, Molecular, and Electronic Structure of

(H2EDTA)99TcIV(µ-O)299TcIV(H2EDTA).5H2O. A 2.33-Å Tc-Tc Distance Which May

Represent a σ2Π2δ*2 Bond.

H.B. Bürgi, G. Anderegg, P. Bläuenstein.

Inorg. Chem., 20, 3829-3834, 1981.

37. Force Fields Atom-Atom Potentials, Molecules and Crystals.

H.B. Bürgi.

In: D. Sayre: Computational Crystallography, Clarendon Press, Oxford, 430-439, 1982.

38. Correlation between NMR Coupling Constants and Molecular Structure. Synthesis and 31P NMR Measurements of [HgX2(cis-Ph2PCH=CHPPh2)] and X-ray Crystal

Structures of [HgBr2(cis-Ph2PCH=CHPPh2)], [Hg(NO3)2(PPh3)2], and

[Hg(CN)2(PPh3)2].

H.B. Bürgi, E. Fischer, R.W. Kunz, M. Parvez, P.S. Pregosin.

6 Inorg. Chem., 21, 1246-1256, 1982.

39. Syntheses and Crystal and Molecular Structures of Hexaaquaruthenium(II) p-

Toluenesulfonate and Hexaaquaruthenium(III) p-Toluenesulfonate,

[Ru(H2O6](C7H7SO3)2 and [Ru(H2O)6](C7H7SO3)3.3H2O.

P. Bernhard, H.B. Bürgi, J. Hauser, H. Lehmann, A. Ludi.

Inorg. Chem., 21, 3936-3941, 1982.

40. Conformational Dynamics of Propane, Di-tert-butylmethane, and Bis(9-triptycyl)

methane. An Analysis of the Symmetry of Two 3-fold Rotors on a Rigid Frame in Terms

of Nonrigid Molecular Structure and Energy Hypersurfaces.

H.B. Bürgi, W.D. Hounshell, R.B. Nachbar,Jr., K. Mislow.

J. Am. Chem. Soc., 105, 1427-1438, 1983.

41. 82. The Crystal Structure of Methyl ß-orcinol-carboxylate (=Methyl 2,4-dihydroxy-

3,6-dimethylbenzoate).

L. Brehm, H. Stoeckli-Evans, R. Tabacchi, H.B. Bürgi.

Helv. Chim. Acta, 66, Fasc. 3, p. 824-827, 1983.

42. 152. Preparation, Characterization, Crystal and Molecular Structure of

Na2[N(CH2COO)399Tc(IV)(µ-O)299Tc(IV)N(CH2COO)3].6H2O.

G. Anderegg, E. Müller, K. Zollinger, H.B. Bürgi.

Helv. Chim. Acta, 66, Fasc. 5, 1593-1598, 1983.

43. From Crystal Statics to Chemical Dynamics.


Acc. Chem. Res., 16, 153-161, 1983.

44. Structural Studies on Silver(I) Complexes with 2,11-Bis(diphenylphosphinomethyl)

benzo[c]phenanthrene (1): [Ag(1)Cl],[Ag(1)(SnCl3)], [Ag(1)(NO3)], and [Ag(1)(ClO4)].

M. Barrow, H.B. Bürgi, M. Camalli, F. Caruso, E. Fischer, L.M. Venanzi, L. Zambonelli.

Inorg. Chem., 22, 2356-2362, 1983.

45. Chemical Reaction Paths. 9. Conformational Interconversions of Wilkinson's Catalyst

and of Related Square-Planar XM(PR3)3 Compounds as Determined from Systematic

Analysis of Solid-State Structural Data11,2.

7 K. Chandrasekhar, H.B. Bürgi.

J. Am. Chem. Soc., 105, 7081-7093, 1983.

46. Acid Cleavage of Nickel(II) Complexes containing cis,cis-1,3,5-Cyclohexanetriamine

(tach), Crystal Structure of [Ni(tach)(H2O)3](NO3)2 and a Correlation between

Structure and Reactivity of Nickel-Polyamine Complexes.

G. Schwarzenbach, H.B. Bürgi, W.P. Jensen, G.A. Lawrance, L. Mønsted, A.M.

Sargeson.

Inorganic Chemistry, 22, No. 26, 4029-4038, 1983.

47. 3,3,11-Trimethyl-7-methylenetricyclo[6.3.0.02,4]undecane-5,11-diol, C15H24O2.

M. Crevoisier, K.C. Steudle, H.B. Bürgi.

Acta Cryst., C40, 979-980, 1984.

48. 47. Boron-nitrilotriacetate, N(CH2COO)3B: Synthesis and Crystal-Structure

Determinations at 293K and 110K.

E. Müller, H.B. Bürgi.

Helv. Chim. Acta, 67, Fasc. 2, 399-405, 1984.

49. The Creutz-Taube Complex Revisited.

U. Fürholz, H.B. Bürgi, F.E. Wagner, A. Stebler, J.H. Ammeter, E. Krausz, R.J.H. Clark,

M.J. Stead, A. Ludi.

J. Am. Chem. Soc., 106, 121-123, 1984.

50. Dynamic Processes in Crystals Examined Through Difference Vibrational Parameters

ΔU: The Low-Spin-High-Spin Transition in Tris(dithiocarbamato)iron(III) Complexes.

K. Chandrasekhar, H.B. Bürgi.

Acta Cryst., B40, 387-397, 1984.

51. Stereochemical Lability in Crystalline Coordination Compounds.

H.B. Bürgi.

Trans. Am. Cryst. Assoc., 20, 61-71, 1984.

52. Thallium Dicyanoaurate (I), Tl[Au(CN)2], and Cesium Dicyanoaurate (I), Cs[Au(CN)2].

N. Blom, A. Ludi, H.B. Bürgi, K. Tichy.

Acta Cryst., C40, 1767-1769, 1984.

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53. Dicesium Sodium Dicyanoaurate(I),Cs2Na[Au(CN)2]3.Crystal-Chemical Relationship to

Potassium Dicyanoaurate(I) and - argentate(I).

N. Blom, A. Ludi, H.B. Bürgi.

Acta Cryst., C40, 1770-1772, 1984.

54. Bond Angles in Lactones and Lactams.

L. Nørskov-Lauritsen, H.B. Bürgi, P. Hofmann, H.R. Schmidt.

Helv. Chim. Acta, 68, 76-82, 1985.

55. 22. The Crystal Structure of Racemic and meso-Diastereoisomers of Aqua [2,6-bis(3-

carboxy-1,2-dimethyl-2-azapropyl)pyridine]-Co(III): Hexafluorophosphate. Di- and

Monohydrate, Respectively.

H. Stoeckli-Evans, L. Brehm, P. Pousaz, K. Bernauer, H.B. Bürgi.

Helv. Chim. Acta, 68, 185-191, 1985.

56. The Creutz-Taube Complex Revisited: Crystallographic Study of the Electron-Transfer

Series [(NH3)5 Ru(pyz)Ru (NH3)5]n+ (n= 4-6).

U. Fürholz, S. Joss, H.B. Bürgi, A. Ludi.

Inorg. Chem., 24, 943-948, 1985.

57. Cluster Analysis of Periodic Distributions; Application to Conformational Analysis.

L. Nørskov-Lauritsen, H.B. Bürgi.

J. of Comput. Chemistry, 6, No. 3, 216-228, 1985.

58. Mixed-Valence Ruthenium Dimers. Molecular and Electronic Structure of the p-

Benzoquinone Diimine Bridged Ion [(NH3)5Ru(bdq)Ru(NH3)5]5+ (bdq=p-Benzoquinone

Diimine) and Its Relationship to the Creutz-Taube Ion.

S. Joss, H.B. Bürgi, A. Ludi.

Inorg. Chem., 24, 949-954, 1985.

59. Structure Correlations and Reaction Pathways.

H.B. Bürgi.

In "Static and Dynamic Implications of Precise Structural Information", Lecture Notes,

International School of Crystallography, Erice, 246-266, 1985.

960. Molecular and Crystal Mechanics.

H.B. Bürgi.

In "Crystallographic Computing" Proceedings of the International Summer School,

Leipzig, 182-215, 1986.

61. Chemical Information from Structural Databases.

H.B. Bürgi.

In "Crystallographic Computing" Proceedings of the International Summer School,

Leipzig, 134-147, 1986.

62. 13-Oxatetracyclo [7.4.2.03,15.011,14]pentadecane-6,12-dione.

M. Luyten, W. Luef, U.Beck and H.B. Bürgi.

Acta Cryst., C42, 73-75, 1986.

63. Syntheses and NMR Spectra of Ruthenium(II)- η5-Dienyl-η

6- Arene Compounds. The

Crystal and Molecular Structure of Ruthenium(II) η5-Cyclooctadienyl η

6-p-Toluene-

sulfonate, Ru(η5-C8H11)(η

6-C7H7SO3).

M. Stebler-Röthlisberger, A. Salzer, H.B. Bürgi, A. Ludi.

Organometallics, 5, 298-302, 1986.

64. [(phen)2MnIV(µ-O)2MnIII(phen)2] (PF6)3.CH3CN and [(phen)2MnIV (µ-O)2MnIV

(phen)2] (ClO4)4.CH3CN (phen = 1,10-Phenanthroline): Crystal Structure Analyses at

100 K, Interpretation of Disorder, and Optical, Magnetic, and Electrochemical Results.

M. Stebler, A. Ludi, H.B. Bürgi.

Inorg. Chem., 25, 4743-4750, 1986.

65. Crystal and Molecular Structure of Bis(η6 benzene) ruthenium(II) p-Toluenesulfonate.

U. Beck, W. Hummel, H.B. Bürgi, A. Ludi.

Organometallics, 6, 20-22, 1987.

66. Dynamic Processes in Crystals Examined through Difference Displacement Parameters

ΔU: Pseudo-Jahn-Teller Distortion in cis-CuIIN4O2 Coordination Octahedra.

M. Stebler, H.B. Bürgi.

J. Am. Chem. Soc., 109, 1395-1401, 1987.

1067. 19. Complexes of 3,3'Oxybis[(diphenylphosphino)-methylbenzene] with Ni(II), Pd(II),

Pt(II), Rh(I), and Ag(I). How Important is Backbone Rigidity in the Formation of trans-

Spanning Bidentate Chelates?

W. Marty, P.N. Kapoor, H.B. Bürgi, E. Fischer.

Helv. Chim. Acta, 70, 158-170, 1987.

68. Synthesis and Crystal Structure of [Re(bpy)3](ReO4)2 (bpy = 2,2' -Bipyridine).

M. Stebler, A. Gutierrez, A. Ludi, H.B. Bürgi.

Inorg. Chem., 26, 1449-1451, 1987.

69. Fractional Bonds: Relations among their Lengths, Strengths, and Stretching Force

Constants.

H.B. Bürgi, J. D. Dunitz.

J. Am. Chem. Soc., 109, 2924-2926, 1987.

70. 58. Complexes of 2,2',2"-Nitrilotriphenol, Part 1: A Study of Bimolecular Nucleophilic

Substitution at the Boron Atom.


Helv. Chim. Acta, 70, 499-510, 1987.

71. 59. Complexes of 2,2',2"-Nitrilotriphenol, Part 2: Crystal and Molecular Structures of

Three Boron Complexes.


Helv. Chim. Acta, 70, 511-519, 1987.

72. 60. Complexes of 2,2',2"-Nitrilotriphenol, Part 3: Crystal and Molecular Structures of

Three Aluminium Complexes.


Helv. Chim. Acta, 70, 520-533, 1987.

73. 61. Angular Distortions at Tetracoordinate Carbon. Planoid Configurations in

Substituted Spiro[4.4]nonanes.

W. Luef, R. Keese, H.B. Bürgi.

Helv. Chim. Acta, 70, 534-542, 1987.

1174. 99. Complexes of 2,2',2"-Nitrilotriphenol, Part IV: Cage Compounds with

Phosphorus(III) and Phosphorus(V).


Helv. Chim. Acta, 70, 1063-1069. 1987.

75. Triaqua(benzene)ruthenium(II) and Triaqua(benzene)osmium(II): Synthesis, Molecular

Structure, and Water-Exchange Kinetics.

M. Stebler-Röthlisberger, W. Hummel, P.A. Pittet, H.B. Bürgi, A. Ludi, A.E. Merbach.

Inorg. Chem., 27, 1358-1363, 1988.

76. Empirical Potential Energy Surfaces Relating Structure and Activation Energy.

1. Metallacyclopentene Ring Inversion in (s-cis-η 4-Butadiene)-metallocene Complexes

and Related Compounds.

H.B. Bürgi, K.C. Dubler-Steudle.

J. Am. Chem. Soc., 110, 4953-4957, 1988.

77. Can Statistical Analysis of Structural Parameters from Different Crystal Environments

Lead to Quantitative Energy Relationships?

H.B. Bürgi and J.D. Dunitz.

Acta Cryst., B44, 445-448, 1988.

78. 140. Conformational Flexibility of the Acetoxyphenyl Group Studied by Statistical

Analysis of Crystal Structure Data.

W. Hummel, A. Roszak, H.B. Bürgi.

Helv. Chim. Acta, 71, 1281-1290, 1988.

79. 141. Conformational Flexibility of the Methoxyphenyl Group Studied by Statistical

Analysis of Crystal Structure Data.

W. Hummel, K. Huml, H.B. Bürgi.

Helv. Chim. Acta, 71, 1291-1302, 1988.

80. Empirical Potential Energy Surfaces Relating Structure and Activation Energy.

2. Determination of Transition-State Structure for the Spontaneous Hydrolysis of Axial

Tetrahydropyranyl Acetals.

H.B. Bürgi, K.C. Dubler-Steudle.

12 J. Am. Chem. Soc., 110, 7291-7299, 1988.

81. Charge-Density Study of Boron Nitrilotriacetate C6H6BNO6, at 100K: a Comparison of

Polar Bonds.

P. Moeckli, D. Schwarzenbach, H.B. Bürgi, J. Hauser, B. Delley.

Acta Cryst., B44, 636-645, 1988.

82. Mössbauer Spectra and Electronic Ground-State Calculations of Strongly Coupled

Ruthenium Ammines Bridged by Pyrazine and p-Benzoquinone Diimine.

S. Joss, K.M. Hasselbach, H.B. Bürgi, R. Wordel, F.E. Wagner, A. Ludi.

Inorg. Chem., 28, 1815-1819, 1989.

83. Interpretation of Atomic Displacement Parameters: Intramolecular Translational

Oscillation and Rigid-Body Motion.

H.B. Bürgi.

Acta Cryst., B45, 383-390, 1989.

84. Crystal and Molecular Structures of Encapsulated Ruthenium(II) and Ruthenium(III)

Ions with Virtually Identical Geometries.

P. Bernhard, H.B. Bürgi, A. Raselli, A.M. Sargeson.

Inorg. Chem., 28, 3234-3239, 1989.

85. Molecular Geometry of d8 Five-Coordination. 1. Data Search, Description of

Conformation, and Preliminary Statistics.

T.P.E. Auf der Heyde, H.B. Bürgi.

Inorg. Chem., 28, 3960-3969, 1989.

86. Molecular Geometry of d8 Five-Coordination. 2. Cluster Analysis, Archetypal

Geometries, and Cluster Statistics.


Inorg. Chem., 28, 3970-3981, 1989.

87. Molecular Geometry of d8 Five-Coordination. 3. Factor Analysis, Static Deformations,

and Reaction Coordinates.


Inorg. Chem., 28, 3982-3989, 1989.

13

88. 144.Transition Metal Complexes with Bidentate Ligands Spanning trans-Positions, Part

XVIII: Crystal and molecular Structure of the Ligands 2,11-bis(di-R-phosphino-

methyl)benzo[c] phenanthrene (R = phenyl, tert-butyl) and a Comparison of their

Conformation in a Variety of Complexes.

H.B. Bürgi, J. Murray-Rust, M. Camalli, F. Caruso, L.M. Venanzi.

Helv. Chim. Acta, 72, 1293-1300, 1989.

89. Structure of Hexakis(acetonitrile)ruthenium(II)p-Toluenesulfonate Dihydrate at 100K.

W. Luginbühl , A. Ludi, A. Raselli, H.B. Bürgi.

Acta Cryst., C45, 1428-1429, 1989.

90. Structures of 2,2',2"-Trimethoxytriphenylamine and 2,2',2" Trihydroxytriphenyl-

ammonium Benzenesulfonate.


Acta Cryst., C45, 1400-1403, 1989.

91. Structure Correlations, Reaction Pathways and Energy Surfaces for Chemical

Reactions.

V. Ferretti, K.C. Dubler-Steudle, H.B. Bürgi.

In " Accurate Molecular Structures", Eds.: A. Domenicano and I. Hargittai, Oxford

University Press, 412-436, 1992.

92. Analysis of Atomic Displacement Parameters and Molecular Motion in Crystals.

W. Hummel, A. Raselli, H.B. Bürgi.

Acta Cryst., B46, 683-692, 1990.

93. PEANUT: Computer graphics program to represent atomic displacement parameters.

W. Hummel, J. Hauser, H.-B. Bürgi.

J. Mol. Graphics, 8, 214-220, 1990.

94. Variation of displacement parameters in structure refinements of low albite.

Th. Armbruster, H.B. Bürgi, M. Kunz, E. Gnos, St. Brönnimann, Ch. Lienert.

American Mineralogist, 75, 135-140, 1990.

1495. The Crystal and Molecular Structure of the Symmetrical Silasesquioxane

H8Si8O12 at 100 K, a Molecular Buildung Block of Some Zeolites.

T.P.E. Auf der Heyde, H.B. Bürgi, H. Bürgy, K.W. Törnroos.

Chimia, 45, 38-40, 1991.

96. Structures of Two Isomeric Dihydropyridine Derivatives with S Substituents: Solid-State

Allyl Migration.

T.P.E. Auf der Heyde, H.B. Bürgi, V.E. Shklover.

Acta Cryst., C47, 566-569, 1991.

97. Structure and Reactivity of Ruthenium Half-Sandwich Compounds: Crystal and

Molecular Structure and Acetonitrile Exchange Kinetics and Mechanism of Ru(η6-

C6H6)(CH3CN) 3 2+ and Ru(η5-C5H5) (CH3CN)3+.

W. Luginbühl, P. Zbinden, P.A. Pittet, Th. Armbruster, H.B. Bürgi, A.E. Merbach,

A. Ludi.

Inorganic Chemistry, 30, 2350-2355, 1991.

98. Linear Si-O-Si Fragments: Structure of 1,1,3,3-Tetramethyl-1,3-bis[(2-oxo-1-pyrrolidinyl)

methyl]disiloxane Dihydrochloride and Analysis of Displacement Parameters.

V.E. Shklover, H.B. Bürgi, A. Raselli, Th. Armbruster, W. Hummel.

Acta Cryst., B47, 544-548, 1991.

99. Crystal and Molecular Structures of [Ru(bpy)3](PF6)3 and Ru(bpy)3](PF6)2 at 105 K.

M. Biner, H.B. Bürgi, A. Ludi, C. Röhr.

Journal of the American Chemical Society, 114, 5197-5203, 1992.

100. The Structure of C60: Orientational Disorder in the Low-Temperature Modification of

C60.

H.B. Bürgi, E. Blanc, D. Schwarzenbach, S. Liu, Y. Lu, M.M. Kappes, J.A. Ibers.

Angewandte Chemie, International Edition, 31, No. 5, 640-643, 1992.

100.a) Die Struktur von C60: Orientierungsfehlordnung in der Tieftemperaturmodifikation von

C60.

H.B. Bürgi, E. Blanc, D. Schwarzenbach, S. Liu, Y. Lu, M.F. Kappes, J.A. Ibers.

Angew. Chemie, 104, 667-669, 1992.

15101. 106. Synthesis and X-Ray Structural Studies of ′4,7,13-Trioxa-1,10-diaza-5,6-

benzocyclopentadecane-2,9-dione′ (=5,6,9,10-Tetrahydro-2H-8H-benzo[b][1,4,10]

trioxa[7,13]diazacyclopentadecene-3,11(4H,12H)-dione) and ′4,7,13,16-Tetraoxa-1,10-

diaza-5,6-benzocyclooctadecane-2,9-dione' (=5,6,8,9,12,13-Hexahydro-2H,11H-

benzo[b][1,4,10,13]tetraoxa-[7,16]diazacyclooctadecene-3,14(4H,15H)-dione).

P. Gluzinski, J. Jurczak, J.W. Krajewski, P. Salanski, T. Stankiewicz, Z. Urbanczyk-

Lipkowska, Th. Armbruster, H.B. Bürgi.

Helvetica Chimica Acta, 75, 1313-1319, 1992.

102. Contributions of structural chemistry to the understanding of chemical reactivity.

H.B. Bürgi.

In "Perspectives in Coordination Chemistry", Editors: A.F. Williams, C. Floriani,

A.E. Merbach, VHCA and VCH, 1-29, 1992.

103. Structure of 1-Morpholinoanthraquinone at 110 K.

M. Kaufmann, D. Berger, R. Härter, D. Hirschi, H.B. Bürgi, A. Raselli, C. Röhr.

Acta Cryst., C48, 1262-1265, 1992.

104. Osmium(IV) Complexes with 2,3-Diamino-2,3-dimethylbutane(tmen):Syntheses,

Properties, and Structures.

A. Patel, A. Ludi, H.B. Bürgi, A. Raselli, P. Bigler.


105. Structure of (n6-C6H6)Mo(CO)3 at Room Temperature and 120 K: Motion about

Equilibrium and Far from Equilibrium.

H.B. Bürgi, A. Raselli, D. Braga, F. Grepioni.

Acta Cryst., B48, 428-437, 1992.

106. Helides of carbon and silicon: an ab initio study of their geometric and electronic

structures.

E. D. Jemmis, M. Wah Wong, H.B. Bürgi. L. Radom.

Journal of Molecular Structure (Theochem), 261, 385-401, 1992.

107. Structure and Optical Spectroscopy of [Rh(2-phenylpyridine)2 (2,2'-bipyridine)]PF6 and

Related Complexes.

16 G. Frei, A. Zilian, A. Raselli, H.U.Güdel, H.B. Bürgi.


108. 65. Structural Chemistry in Helvetica Chimica Acta, 1917-1992

H.B. Bürgi, J. D. Dunitz.


109. Analysis of Atomic Displacement Parameters and Molecular Motion in Crystals. Part 2.

X-Ray Crystal Structure of K2Ru(SO4)2 * 6H2O at 160 K and 295 K.

H.B. Bürgi, A. Raselli.

Structural Chemistry, 4, 23-31, 1993.

110. 146. The Crystal Structure of C70 . 6(S8) at 100 K.

H.B. Bürgi, P. Venugopalan, D. Schwarzenbach, F. Diederich, C. Thilgen.


111. X-ray Diffraction Study of the Molecular Structure of a Spherohydridosilasesquioxane,

H10Si10O15, a Flexible Assembly of Rigid Tetrahedra.

H.B. Bürgi, K.W. Törnroos, G. Calzaferri, H. Bürgy.


112. Structure of C60: Partial Orientational Order in the Room-Temperature Modification of

C60.

H.B. Bürgi, R. Restori, D. Schwarzenbach.

Acta Cryst., B49, 832-838, 1993.

113. 5-Methoxy-3,3a,8,8a-tetrahydro-1H-cyclopenta[a]inden-2-one.

R. Aebi, R. Buechel, H.B. Bürgi, M. Foertsch, P. Venugopalan.

Acta Cryst., C49, 1808-1809, 1993.

114. Fluxionality and low-lying transition structures of the water trimer.

M. Schütz, Th. Bürgi, S. Leutwyler, H.B. Bürgi.

J. Chem. Phys., 99 (7), 5228-5238, 1993.

115. Molecular Structure and Coordinate Systems.


17In "Structure Correlation", H.B. Bürgi, J.D. Dunitz (eds.), Verlag Chemie, Weinheim,

1994.

116. Symmetry Aspects of Structure Correlation.


In "Structure Correlation", H.B. Bürgi, J.D. Dunitz (eds.), Verlag Chemie, Weinheim,

1994.

117. Structure Correlation; the Chemical Point of View.



1994.

118. Reaction Paths for Nucleophilic Substitution (SN2) Reactions.

H.B. Bürgi, V. Shklover.


1994.

119. Facial Tris Cyclometalated Rh3+ and Ir3+ Complexes: Their Synthesis, Structure, and

Optical Spectroscopic Properties.

M.G. Colombo, T.C. Brunold, T. Riedener, H.U. Güdel, M. Förtsch, H.B. Bürgi.


120. Single-Crystal X-Ray Diffraction Study of the Room Temperature Structure and

Orientational Disorder of C70.

E. Blanc, H.B. Bürgi, R. Restori, D. Schwarzenbach, P. Stellberg, P. Venugopalan.

Europhysics Letters, 27, 359-364, 1994.

121. Nanocrystalline Domains of a Monoclinic Modification of Benzene Stabilized in a

Crystalline Matrix of C601.

H.B. Bürgi, R. Restori, D. Schwarzenbach, A.L. Balch, J.W. Lee, B.C. Noll,

M.M. Olmstead.

Chemistry of Materials, 6, 1325-1329, 1994.

18122. 131. Crystal Structure and Packing of 1-(4,6-Diamino-1,3,5-triazin-2-yl)guanidinium

nitrate.

P. Venugopalan, H.B. Bürgi.

Helvetica Chimica Acta,77, 1475-1479, 1994.

123. Structural Distortions in Si8O12 Fragments and D4R Units: A Comparison between

Silasesquioxane Molecules and LTA Zeolites.

A.M. Bieniok, H.B. Bürgi.

The Journal of Physical Chemistry, 98, 10735-10741, 1994.

124. Molecular motion in crystals.

H.B. Bürgi.

In: „Correlations, transformations, and interactions in organic crystal chemistry“,

Ed. D.W. Jones, A. Katrusiak; Chapter 4, p. 38-47, IUCr, Oxford University Press, 1994.

125. Deformation Analysis of the D8R-Unit in Zeolite Structures.

A. Bieniok, H.B. Bürgi.

In: „Zeolites and Related Microporous Materials: State of the Art 1994, Part A. (Studies

in Surface Science and Catalysis, Vol. 84, p. 567-574. Ed. J. Weitkamp, H.G. Karge,

H. Pfeifer, W. Hölderich; Elsevier, 1994.

126. The Crystal and Molecular Structure of Dodecahydridosilasesquioxane, H12Si12O18.

K.W. Törnroos, H.B. Bürgi, G. Calzaferri, H. Bürgy.

Acta Cryst., B51, 155-161, 1995.

127. A [5.5.5.5]Fenestrane Derivative.

R. Guidetti-Grept, B. Herzog, B. Debrunner, V. Siljegovic, R. Keese, H.-M. Frey,

A. Hauser, O. König, S. Lüthi, J. Birrer, D. Nyffeler, M. Förtsch, H.B. Bürgi.

Acta Cryst., C51, 495-497, 1995.

128. Motion in Crystals: The Molecular Mean Field Model.

H.B. Bürgi.

Acta Cryst., B51, 571-579, 1995.

19129. X-Ray Diffraction Evidence for a Cyclohexatriene Motif in the Molecular Structure of

Tris(bicyclo[2.1.1]hexeno)benzene: Bond Alternation after the Refutation of the Mills-

Nixon Theory.

H.B. Bürgi, K.K. Baldridge, K. Hardcastle, N.L. Frank. P. Gantzel, J.S. Siegel, J. Ziller.

Angew. Chem. Int. Ed. Engl., 34, 1454-1456, 1995.

130. Syntheses and Crystal and Molecular Structures of the Hexakis(N,N-dimethyl

formamide) Complexes of Ruthenium(II) and Ruthenium(III).

R.J. Judd, R. Cao, M. Biner, Th. Armbruster, H.B. Bürgi, A.E. Merbach, A. Ludi.


131. The Crystal Structure of a Heptiptycene-Chlorobenzene Clathrate.

P. Venugopalan, H.B. Bürgi, N.L. Frank, K. K. Baldridge, J.S. Siegel.

Tetrahedron Letters, 36, 2419-2422, 1995.

132. X-ray diffraction study of the stacking faults in hexagonal C70 single crystals.

E. Blanc, H.B. Bürgi, R. Restori, D. Schwarzenbach, P. Ochsenbein.

Europhysics Letters, 33, 205-210, 1996.

133. Structural behaviour of cobaloximes: planarity, an anomalous trans-influence and

possible implications on Co-C bond cleavage in coenzyme B12-dependent enzymes.

D.J.A. De Ridder, E. Zangrando, H.B. Bürgi.

Journal of Molecular Structure, 374, 63-83, 1996.

134. 7-(2’-Deoxy-α-D-ribofuranosyl)-hypoxanthine.

J. Marfurt, E. Stulz, H.U. Trafelet, A. Zingg, Ch. Leumann, M. Hazenkamp, R. Judd, S.

Schenker, G. Strouse, T.R. Ward, M. Förtsch, J. Hauser, H.B. Bürgi.

Acta Cryst., C52, 713-716, 1996.

135. Syntheses and Structures of the Five-Coordinate Complexes [M(N-N)([9]aneS3)] (PF6)2

(M = Pd, (N-N) = 2,2’-Bipyridine; M = Pt, (N-N) = 1,10-Phenanthroline; ([9]aneS3) =

1,4,7-Trithiacyclononane).

H. Nikol, H.B. Bürgi, K.J. Hardcastle, H.B. Gray.

Inorg. Chem., 34, 6319-6322, 1995.

136. On molecular recognition in fullerene chemistry.

20 H.B. Bürgi.

In: G. Tsoucaris et al.(eds.) „Crystallography of Supramolecular Compounds“.Kluwer

Academic Publishers, 31-44, 1996.

137. Eine topochemisch kontrollierte, regiospezifische Fulleren-Bisfunktionalisierung.

B. Kräutler, Th. Müller, J. Maynollo, K. Gruber, Ch. Kratky, P. Ochsenbein,

D. Schwarzenbach, H.B. Bürgi.

Angew. Chemie, 108, 1294-1296, 1996.

138. 135. The Crystal and Molecular Structure of [Co(tmen)3](C7H7SO3)3 . H2O and

[Co(tmen)3](CH3SO3)2 . EtOH . 1/2 H2O (tmen = 2,3-Dimethylbutane-2,3-diamine).

H. Brunner, A. Ludi, A. Raselli, H.B. Bürgi


139. Atomic Displacement Parameter Nomenclature. Report of a Subcommittee on Atomic

Displacement Parameter Nomenclature.

K.N. Trueblood, H.B. Bürgi, H. Burzlaff, J.D. Dunitz, C.M. Gramaccioli, H.H. Schulz,

U. Shmueli, S.C. Abrahams.

Acta Cryst., A52, 770-781, 1996.

140. Bis(hydrazinium)N,N’-Dinitroethylenediaminate(2-).

H.R. Bircher, P. Ochsenbein, J. Hauser, H.B. Bürgi.

Acta Cryst., C52, 2002-2004, 1996.

141. (4,6-Dichloro-1,3,5-triazin-2-ylethynyl)-dimethylamine.

P. Wilhelm, Ch. Boss, M. Pfammatter, M. Thommen, T. Ploom, S. Schauder, U. Berger,

F. Vanhelmont, M. Förtsch, J. Hauser, H.B. Bürgi.

Acta Cryst., C52, 2004-2006, 1996.

142. Temperature Dependence of the Crystal Structure and EPR Spectrum of Bis(1,3,5-

Trihydroxycyclohexane)copper(II) Tosylate. A Unified Interpretation Using a Model of

Dynamic Vibronic Coupling.

J. Bebendorf, H.B. Bürgi, E. Gamp, M.A. Hitchman, A. Murphy, D. Reinen, M.J. Riley,

H. Stratemeier.

Inorg. Chem., 35, 7419-7429, 1996.

21143. Ligand Dehydrogenation in Ruthenium - Amine Complexes: Reactivity of 1,2-

Ethanediamine and 1,1,1- Tris(aminomethyl)ethane.

P. Bernhard, D.J. Bull, H.B. Bürgi, P. Osvath, A. Raselli, A.M. Sargeson.

Inorg. Chem., 36, 2804-2815, 1997.

144. A Study in Crystal Engineering: Structure, Crystal Growth, and Physical Properties of a

Polar Perhydrotriphenylene Inclusion Compound.

O. König, H.B. Bürgi, Th. Armbruster, J. Hulliger, Th. Weber.

J. Am. Chem. Soc., 119, 10632-10640, 1997.

145. 4,4’-Dinitro-2,2’-bipyridine.

M. Pilkington, S. Capelli, J. Hauser, Ch. Hoffmann, H.B. Bürgi.

Acta Cryst., C53, 1719-1721, 1997.

146. Synthesis, Crystal Structure, High-Resolution Optical Spectroscopy, and Extended

Hückel Calculations for [Re(CO)4(thpy)] (thpy- = 2-(2-Thienyl)-pyridinate). Comparison

with Related Cyclometalated Complexes.

F.W.M. Vanhelmont, H.U. Güdel, M. Förtsch, H.B. Bürgi.

Inorg. Chemistry, 46, 5512-5517, 1997.

147. Edge-Bridged Tetrahedral Geometry of Five-Coordinate d0 Complexes, Relatives of the

Bent [MCp2L3] Family: A Theoretical and Structure-Correlation Study.

Th.R. Ward, H.B. Bürgi, F. Gilardoni, J. Weber.

J. Am. Chem. Soc., 119, 11974-11985, 1997.

148. Crystallisation of supramolecular materials.

H.B. Bürgi, J. Hulliger, P.J. Langley.

Current Opinion in Solid State & Materials Science, 3, 425-430, 1998.

149. Influence of electron donor and acceptor substituents on the excited state properties of

rhenium(I) tetracarbonyl chelate complexes.

F.W.M. Vanhelmont, M.V. Rajasekharan, H.U. Güdel, S.C. Capelli, J. Hauser, H.B.

Bürgi.

J. Chem. Soc. Dalton Trans., 2893-2900, 1998.

22150. Recognition of convex fullerene molecules by concave complexing agents, structure

and reactivity.

H.B. Bürgi.

In: G. Tsoucaris (ed.) "Current Challenges on Large Supramolecular Assemblies",

Kluwer Academic Publishers, 145-155, 1999.

151. Structure Correlation and Chemistry.

H.B. Bürgi.

Acta Cryst., A54, 873-885, 1998.

152. Neutron and X-ray Diffraction Study of the Thermal Motion in K2PtCl6 as a Function of

Temperature.

J. Schefer, D. Schwarzenbach, P. Fischer, Th. Koetzle, F.K. Larsen, S. Haussühl, M.

Rüdlinger, G. McIntyre, H. Birkedal, H.B. Bürgi.

Acta Cryst., B54, 121-128, 1998.

153. Dynamic Processes and Disorder in Materials as seen by Temperature-Dependent

Diffraction Experiments.

H.B. Bürgi, S.C. Capelli.

In: Implications of Molecular and Materials Structure for New Technologies, J.A.K.

Howard et al., Kluwer Academic Publishers, The Netherlands, 45-58, 1999.

154. Dynamic Processes and Disorder in Crystal Structures as seen by Temperature-

Dependent Diffraction Experiments.

H.B. Bürgi, M. Förtsch.

Journal of Molecular Structure, Vol. 485-486, p. 457-463, 1999.

155. ZrIV-tetraphenylporphyrinates as Nuclease Mimics: Structural, Kinetic and Mechanistic

Studies on Phosphate Diester Transesterification.

E. Stulz, H.B. Bürgi, Ch. Leumann.

Chemistry, A European Journal, 6, No. 3, 523-536, 2000.

156. Crystal Structure and Optical Spectroscopy of Er2[Pt(CN)4]3.21H2O and

Er2[Pt(CN)4]2.SO4.11.5H2O.

A. Loosli, M. Wermuth, H.-U. Güdel, S. Capelli, J. Hauser, H.B. Bürgi.


23

157. Dynamics of molecules in crystals from multi-temperature anisotropic displacement

parameters. I. Theory.

H.B. Bürgi, S.C. Capelli.

Acta Cryst. A56, 403-412, 2000.

158. Dynamics of molecules in crystals from multi-temperature anisotropic displacement

parameters. II. Application to benzene (C6D6) and urea [OC(NH)2].

S.C. Capelli, M. Förtsch, H.B. Bürgi.

Acta Cryst. A56, 413-424, 2000.

159. Anharmonicity in anisotropic displacement parameters.

H.B. Bürgi, S.C. Capelli, H. Birkedal.

Acta Cryst. A56, 425-435, 2000.

160. Motion and Disorder in Crystal Structure Analysis: Measuring and Distinguishing Them.

H.B. Bürgi.

Annu. Rev. Phys. Chem. 51, 275-296, 2000.

161. Disorder and Motion in Crystal Structures: Nuisance and Opportunities.

H.B. Bürgi, Th. Weber.

Chimia, 55, 510-516, 2001.

162. Metal Complexes of a Biconcave Porphyrin with D4-Structure - Versatile Chiral Shift

Agents.

R. Schwenninger, J. Schlögl, J. Maynollo, K. Gruber, P. Ochsenbein, H.B. Bürgi, R.

Konrat, B. Kräutler

Chem. Eur. J. 7, 2676-2686, 2001.

163. Molecular Motions in Crystalline Anthracene and Naphthalene from Multitemperature

Diffraction Data.

H.B. Bürgi, N. Rangavittal, J. Hauser.

Helvetica Chimica Acta 84, 1889-1906, 2001.

164. Structural complexity of a polar perhydrotriphenylene inclusion compound brought to

light by synchrotron radiation.

24 Th. Weber, M.A. Estermann, H.B. Bürgi.

Acta Cryst. B57, 579-590, 2001.

165. Crystal Structures of (Et4N)3M2F9 (M = V, Cr, Fe) determined by X-Ray Single-Crystal

and Powder Diffraction: A New Structure Type for A3M2X9 Compounds.

K.W. Krämer, R. Schenker, J. Hauser, H. Weihe, H.U. Güdel, H.B. Bürgi.

Z. Anorg. Allg. Chem. 627, 2511-2516, 2001.

166. Orientational disorder as a function of temperature in the clathrate structure of

hydroquinone and C60.

E. Blanc, R. Restori, D. Schwarzenbach, H.B. Bürgi, M. Förtsch, P. Venugopalan, O.

Ermer.

Acta Cryst. B56, 1003-1010, 2000.

167. Determination and refinement of disordered crystal structures using evolutionary

algorithms in combination with Monte Carlo methods.

Th. Weber, H.B. Bürgi.

Acta Cryst. A58, 526-540, 2002.

168. What we can learn about fast chemical processes from slow diffraction experiments.

H.B. Bürgi.

Faraday Discussion, 122, 41-63, 2002.

169. Recovering Transdisciplinarity.

H.B. Bürgi.

Z. Krist. 217, 288, 2002.

170. Electron Distribution and Molecular Motion in Crystalline Benzene: An Accurate

Experimental Study Combining CCD X-ray Data on C6H6 with Multitemperature

Neutron-Diffraction Results on C6D6.

H.B. Bürgi, S.C. Capelli, A.E. Goeta, J.A.K. Howard, M.A. Spackman, D.S. Yufit.

Chem. Eur. J. 8, 3512-3521, 2002.

171. Polymorphism and stacking disorder in tris(bicyclo[2.1.1]hexeno)benzene.

H. Birkedal, H.B. Bürgi, K. Komatsu, D. Schwarzenbach.

J. Mol. Struct. 647, 233-242, 2003.

25

172. The structural complexity of a polar, molecular material brought to light by synchrotron

radiation.


Mol. Cryst. Liq. Cryst. 390, 1-4, 2003.

173. Getting More out of Crystal-Structure Analyses.

H.B. Bürgi, S. C. Capelli.

Helvetica Chimica Acta 86, 1625-1640, 2003.

174. a) Ordering Phenomena and Phase Transitions in a Spin-Crossover Compound –

Uncovering the Nature of the Intermediate Phase of [Fe(2-pic)3]Cl2-EtOH.

D. Chernyshov, M. Hostettler, K.W. Törnroos, H.B. Bürgi.

Angew. Chem. Int. Ed. 42, 3825-3830, 2003.

174. b) Ordnungsphänomene und Phasenübergänge in einer Spin-Crossover-Verbindung:

[Fe(2-pic)3]Cl2-EtOH durchläuft eine geordnete Zwischenphase.

D. Chernyshov, M. Hostettler, K.W. Törnroos, H.B. Bürgi.

Angew. Chem. 115, 3955-3960, 2003.

175. Low-Temperature Single-Crystal Raman and Neutron-Diffraction Study of the

Hydrogenous Ammonium Copper(II) Tutton Salt and the Deuterated Analogue in the

Metastable State.

Ch. Dobe, G. Carver, H.B. Bürgi, P.L.W. Tregenna-Piggott, G.J. McIntyre, M.A.

Augustyniak-Jablokow, M.J. Riley.

Inorg. Chem. 42, 8524-8533, 2003.

176. Crystallography: Conserving an Endangered Species.


Angew. Chem. Int. Ed. 43, 3098, 2004.

177. Non-aromatic endocyclic angle at the ring fusion with the aromatic ring in benzocyclo-

pentene and –hexene, revisited.

D.J.A. De Ridder, H.B. Bürgi.

Acta Cryst. B60, 293-299, 2004.

26178.a) Challenges in Engineering Spin Crossover: Structures and Magnetic Properties of Six

Alcohol Solvates of Iron(II) Tris(2-picolylamine) Dichloride.

M. Hostettler, K.W. Törnroos, D. Chernyshov, B. Vangdal, H.B. Bürgi.

Angew. Chem. Int. Ed. 43, Issue 35, 4589-4594, 2004.

178.b) Engineering von Spin-Crossover-Verbindungen? Strukturen und magnetische

Eigenschaften von sechs Alkoholsolvaten des Tris(2-picolylamin)eisen(II)-dichlorids.

M. Hostettler, K.W. Törnroos, D. Chernyshov, B. Vangdal, H.B. Bürgi.

Angew. Chem., 116, Issue 35, 4689-4695, 2004.

179. Host-Guest Compounds in the Family of Tellurium-Nickel Oxohalogenides.

M. Johnsson, S. Lidin, K.W. Törnroos, H.B. Bürgi, P. Millet.

Angew. Chem. Int. Ed. 43, 4292-4295, 2004.

180. Landau theory for spin transition and ordering phenomena in Fe(II) compounds.

D. Chernyshov, H.B. Bürgi, M. Hostettler, K.W. Törnroos.

Phys. Rev. B70, 094116-1-8, 2004.

181. Phosphoenolpyruvate- and ATP-Dependent Dihydroxyacetone Kinases: Covalent

Substrate-Binding and Kinetic Mechanism.

L.F. Garcia-Alles, Ch. Siebold, Th. Lüthi Nyffeler, K. Flükiger-Brühwiler, P. Schneider,

H.B. Bürgi, U. Baumann, B. Erni.

Biochemistry 43, 13037-13045, 2004.

182. Crystalline, Mixed-Valence Manganese Analogue of Prussian Blue: Magnetic,

Spectroscopic, X-ray and Neutron Diffraction Studies.

P. Franz, C. Ambrus, A. Hauser, D. Chernyshov, M. Hostettler, J. Hauser, L. Keller,

K. Krämer, H. Stoeckli-Evans, P. Pattison, H.B. Bürgi, S. Decurtins.

J. Am. Chem. Soc., 126, 16472-16477, 2004.

183. Structural phase transitions in the cyano-elpasolite Cs2NaCo(CN)6, a neutron

diffraction study.

D. Chernyshov, H.B. Bürgi, D. Sheptyakov.

Physica B 350, 379-382, 2004.

184. Co-crystallized cis and trans isomers of dichlorobis (2-picolylamine)iron(II)

27 K.W. Törnroos, D. Chernyshov, M. Hostettler, H.B. Bürgi.

Acta Cryst. C 61, 450-452, 2005.

185. Stacking disorder : the hexagonal polymorph of tris(bicyclo[2.1.1]hexeno)benzene and

related examples.

H.B. Bürgi, M. Hostettler, H. Birkedal, D. Schwarzenbach.

Z. Kristallogr. 220, 1066-1075, 2005.

186. 1,2,3-Tri-O-acetyl-5-deoxy-5-methylthio-β-D-ribofuranose.

J.-M. Jeckelmann, T. Lüthi Nyffeler, M. Altmann, H.B. Bürgi, P. Renaud, J. Hauser.

Acta Cryst. E 61, 2689-2690, 2005.

187. Supramolecular Architecture in a Disordered Perhydrotriphenylene Inclusion Compound

from Diffuse X-ray Diffraction Data.

H.B. Bürgi, J. Hauser, T. Weber, R.B. Neder.

Crystal Growth & Design, Vol. 5, No. 6, 2073-2083, 2005.

188. High-temperature single-crystal neutron diffraction study of natural chondrodite.

M. Kunz, G.A. Lager, H.B. Bürgi, M.T. Fernandez-Diaz.

Phys. Chem. Minerals, Vol. 33, 17-27, 2006.

189.a) Structural and Spectroscopic Characterization of Active Sites in a Family of Light-

Emitting Sodium Lanthanide Tetrafluorides.

A. Aebischer, M. Hostettler, J. Hauser, K. Krämer, Th. Weber, H.U. Güdel, H.B. Bürgi.

Angew. Chem. Int. Ed., Vol. 45, 2802-2806, 2006.

189.b). Strukturelle und spektroskopische Charakterisierung von lichtemittierenden

Natiumlanthanoidtetrafluoriden.

A. Aebischer, M. Hostettler, J. Hauser, K. Krämer, Th. Weber, H.U. Güdel, H.B. Bürgi.

Angew. Chem. Vol. 118, 2869-2873, 2006.

190. Interplay of Spin Conversion and Structural Phase Transformations: Re-Entrant Phase

Transitions in the 2-Propanol Solvate of Tris(2-picolylamine)iron(II) Dichloride.

K.W. Törnroos, M. Hostettler, D. Chernyshov, B. Vangdal, H.B. Bürgi.

Chem. Eur. J., 12, 6207-6215, 2006.

28191. Specific Heat of Molecular Crystals from Atomic Mean Square Displacements with the

Einstein, Debye, and Nernst-Lindemann Models.

T. Aree, H.B. Bürgi.

J. Phys. Chem. B, 110, 26129-26134, 2006.

192. Coupling between spin conversion and solvent disorder in spin crossover solids

D. Chernyshov, N. Klinduhov, K. W. Törnroos, M. Hostettler, B. Vangdal, H.-B. Bürgi

Phys. Rev. B 76, 014406, 2007.

193. Chemical disorder and spin crossover in a mixed ethanol–2-propanol solvate of FeII

tris(2-picolylamine) dichloride

D. Chernyshov, B. Vangdal, K. W. Törnroos and H.-B. Bürgi

New Journal of Chemistry, 33, 1277, 2009

194. Orientational Disorder of (trans)-4-Chloro-4 '-nitrostilbene: A Detailed Analysis by Single

Crystal X-ray Diffraction

N.R. Behrnd, G. Labat, P. Venugopalan, J. Hulliger, H.-B. Bürgi HB

Crystal Growth and Design, 10, 52, 2010

195. Molecular dynamics simulations of structure and dynamics of organic molecular crystals

A. Nemkevich, H.-B. Bürgi, M. A. Spackman and B. Corry

Phys. Chem. Chem. Phys., 12, 14916, 2010

196. Beyond Single Crystal Structure Determination – Interpretation of Diffuse Scattering

H.-B. Bürgi, J. Hauser, V. Lynch

Trans. Am. Cryst. Assoc., 2010

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197. Influence of the solvent of crystallization on the orientational disorder of (trans)-4-

chloro-4’-nitrostilbene

N.-R. Behrnd, G. Labat, P. Venugopalan, J. Hulliger and H.-B. Bürgi

CrystEngComm, 12, 4101, 2010

198. Temperature-dependent analysis of thermal motion, disorder and structures of

tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate

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Acta Cryst. B 67, 53, 2011

199. Distinction of disorder, classical and quantum vibrational contributions to atomic mean-

square amplitudes in dielectric pentachloronitrobenzene.

J. M. Cole, H.-B. Bürgi and G. J. McIntyre

Phys. Rev. B 83, 224202, 2011

200. Low-energy contamination of Mo micro-source X-ray radiation: analysis and solution

of the problem.

P. Macchi, H.-B. Bürgi, A. S. Chimpri, J. Hauser, Z. Gal J. Appl. Cryst, 44, 763–771, 2011

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